1-phenylcyclobut-2-en-1-ol

C10H10O — CID 174635537

IUPAC1-phenylcyclobut-2-en-1-ol
SMILESOC1(c2ccccc2)C=CC1
InChIInChI=1S/C10H10O/c11-10(7-4-8-10)9-5-2-1-3-6-9/h1-7,11H,8H2
InChIKeyMLWISZAWCVZUQI-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.83
Rot. Bonds1

About 1-phenylcyclobut-2-en-1-ol

1-phenylcyclobut-2-en-1-ol (PubChem CID 174635537) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-phenylcyclobut-2-en-1-ol.

Molecular Properties

Compound Name1-phenylcyclobut-2-en-1-ol
PubChem CID174635537
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1-phenylcyclobut-2-en-1-ol
SMILESOC1(c2ccccc2)C=CC1
InChIInChI=1S/C10H10O/c11-10(7-4-8-10)9-5-2-1-3-6-9/h1-7,11H,8H2
InChIKeyMLWISZAWCVZUQI-UHFFFAOYSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenylcyclobut-2-en-1-ol?
The IUPAC name of 1-phenylcyclobut-2-en-1-ol (CID 174635537) is 1-phenylcyclobut-2-en-1-ol.
What is the SMILES notation for 1-phenylcyclobut-2-en-1-ol?
The canonical SMILES for 1-phenylcyclobut-2-en-1-ol is OC1(c2ccccc2)C=CC1.
What is the InChIKey of 1-phenylcyclobut-2-en-1-ol?
The InChIKey is MLWISZAWCVZUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c11-10(7-4-8-10)9-5-2-1-3-6-9/h1-7,11H,8H2.
What are the key properties of 1-phenylcyclobut-2-en-1-ol?
1-phenylcyclobut-2-en-1-ol has a molecular weight of 146.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylcyclobut-2-en-1-ol is sourced from PubChem (CID 174635537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).